5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione

C15H8BrClFNO2 — CID 107882127

IUPAC5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(F)c2)c2ccc(Br)cc21
InChIInChI=1S/C15H8BrClFNO2/c16-9-2-4-13-10(6-9)14(20)15(21)19(13)7-8-1-3-11(17)12(18)5-8/h1-6H,7H2
InChIKeyFLVASKCDZLLBBN-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.97
Rot. Bonds2

About 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione

5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 107882127) has the molecular formula C15H8BrClFNO2 and a molecular weight of 368.59 g/mol. Its IUPAC name is 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
PubChem CID107882127
Molecular FormulaC15H8BrClFNO2
Molecular Weight368.59 g/mol
Exact Mass366.94
IUPAC Name5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(F)c2)c2ccc(Br)cc21
InChIInChI=1S/C15H8BrClFNO2/c16-9-2-4-13-10(6-9)14(20)15(21)19(13)7-8-1-3-11(17)12(18)5-8/h1-6H,7H2
InChIKeyFLVASKCDZLLBBN-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
5-bromo-1-[(4-chloroanilino)methyl]indole-2,3-dione
CID 19166921
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
1-[(4-bromothiophen-2-yl)methyl]-5-chloro-6-fluoroindole-2,3-dione
CID 79336223
5-bromo-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
CID 18823275
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
1-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione (CID 107882127) is 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)c(F)c2)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is FLVASKCDZLLBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO2/c16-9-2-4-13-10(6-9)14(20)15(21)19(13)7-8-1-3-11(17)12(18)5-8/h1-6H,7H2.
What are the key properties of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione?
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 368.59 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 107882127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).